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ChEMBL Statistics
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UniChem Connectivity Layer Cross References

Legend

Letters 's', 'i' and 'p' describe how structures differ from structure with InChI Key ISWSIDIOOBJBQZ-UHFFFAOYSA-N

  • s = stereochemical difference.
  • i = isotopic difference.
  • p = protonation differences identified.



Source Identical Component s i p si ip sp sip
ChEMBL CHEMBL14060
DrugBank DB03255
PDBe IPH
KEGG Ligand C00146 C15584
ChEBI 15882 50526
ZINC ZINC000005133329
eMolecules 475725 30555809 524604 29536684
IBM Patent System 06921F7765E5684337802922CEA73299 780B20B507BBBD8A47F06C7B8948B6B3 5E525CD29C899DFDD0650BE7D4BB1C76 1EB8996CA7ACC18728B22FC1F42657E8 7227CBE8DB21042686D2E670C17E651F B6691ABC51A9864994801B5AC93546FF 212350CC07BEB00D9340C1E2B0573470 582D0018BE356E6C6ECA3D278765E404 EB7449435A0BB6E1A81D6F9C5BCA89FA E25A31E2110BDA0E63DD990186C30F1E
Atlas phenol
FDA SRS 339NCG44TV
SureChEMBL SCHEMBL48 SCHEMBL10596812 SCHEMBL7169798 SCHEMBL17307526 SCHEMBL7170931 SCHEMBL3549647 SCHEMBL1063688 SCHEMBL1741191 SCHEMBL13384840 SCHEMBL1331249 SCHEMBL14004356 SCHEMBL14134295 SCHEMBL18842871 SCHEMBL1332575 SCHEMBL250846 SCHEMBL1332386 SCHEMBL15504723 SCHEMBL2777479
PharmGKB PA450913
Human Metabolome Database HMDB0000228
PubChem: Thomson Pharma 15170419 16459531 16165792 16324495
PubChem 996 20488062 12205411 88635940 450724 11094559 12203467 101252640 12205408 12205420 12205412 101252639 102491680 11366956 12205409 12205417 53933671 57224171 16213343 123295 12205416 12205407 12205413 129719597 12205414 11240442 12205419 76972960 102071048 16217430 119047 19933415 5152889
Mcule MCULE-9943948107
NMRShiftDB 20036223 20176248
ACToR 27073-41-2 63496-48-0 73607-76-8 61788-41-8 108-95-2 1336-35-2 13127-88-3 3229-70-7
MolPort MolPort-000-871-946 MolPort-003-927-171
Nikkaji J2.873H J504.300J J870.446E J1.919.944D J2.340.078B J867.766B J1.919.943F J2.340.076F J3.152.443A J1.245.303E J429.858F J504.301H J317.823D J672.400K J504.302F J2.070.770D J1.012.655J J261.027B J1.245.302G J312.417G J1.233.812K
BindingDB 26187
EPA CompTox Dashboard DTXSID5021124 DTXSID50480398 DTXSID50454877 DTXSID60583884 DTXSID90480397 DTXSID30584388
DrugCentral 4266
Metabolights MTBLC15882 MTBLC50526
Brenda 107024 109195 249 107025 109048
Rhea 15882
ChemicalBook CB4362168

UniChem REST Service Call: https://www.ebi.ac.uk/unichem/rest/key_search/ISWSIDIOOBJBQZ-UHFFFAOYSA-N/0/0/4
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